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Data-driven discovery of cardiolipin-selective small molecules by computational active learning

Subtle variations in the lipid composition of mitochondrial membranes can have a profound impact on mitochondrial function. The inner mitochondrial membrane contains the phospholipid cardiolipin, which has been demonstrated to act as a biomarker for a number of diverse pathologies. Small molecule dy...

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Detalles Bibliográficos
Autores principales: Mohr, Bernadette, Shmilovich, Kirill, Kleinwächter, Isabel S., Schneider, Dirk, Ferguson, Andrew L., Bereau, Tristan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9019913/
https://www.ncbi.nlm.nih.gov/pubmed/35656132
http://dx.doi.org/10.1039/d2sc00116k